9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C18H29ClN4O — CID 120987564

IUPAC9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ncc(NC(=O)C2CC3CCCC(C2)C3N)cn1.Cl
InChIInChI=1S/C18H28N4O.ClH/c1-18(2,3)17-20-9-14(10-21-17)22-16(23)13-7-11-5-4-6-12(8-13)15(11)19;/h9-13,15H,4-8,19H2,1-3H3,(H,22,23);1H
InChIKeyBFEGTNYMKSGGGJ-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.29
Rot. Bonds2

About 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120987564) has the molecular formula C18H29ClN4O and a molecular weight of 352.91 g/mol. Its IUPAC name is 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120987564
Molecular FormulaC18H29ClN4O
Molecular Weight352.91 g/mol
Exact Mass352.20
IUPAC Name9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(C)(C)c1ncc(NC(=O)C2CC3CCCC(C2)C3N)cn1.Cl
InChIInChI=1S/C18H28N4O.ClH/c1-18(2,3)17-20-9-14(10-21-17)22-16(23)13-7-11-5-4-6-12(8-13)15(11)19;/h9-13,15H,4-8,19H2,1-3H3,(H,22,23);1H
InChIKeyBFEGTNYMKSGGGJ-UHFFFAOYSA-N
XLogP3.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-(2-ethylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993240
3-amino-N-(2-tert-butylpyrimidin-5-yl)cyclopentane-1-carboxamide
CID 119752747
N-(2-tert-butylpyrimidin-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119305621
9-amino-N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985154
N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-3-carboxamide
CID 119752791
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
9-amino-N-(2H-benzotriazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991865
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581
3-(2-tert-butylpyrimidin-5-yl)-1-cyclobutyl-1-methylurea
CID 97218500
9-amino-N-(5-propyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994092

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120987564) is 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(C)(C)c1ncc(NC(=O)C2CC3CCCC(C2)C3N)cn1.Cl.
What is the InChIKey of 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is BFEGTNYMKSGGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O.ClH/c1-18(2,3)17-20-9-14(10-21-17)22-16(23)13-7-11-5-4-6-12(8-13)15(11)19;/h9-13,15H,4-8,19H2,1-3H3,(H,22,23);1H.
What are the key properties of 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-tert-butylpyrimidin-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120987564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).